NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5713 8.2649 123.5957 52.4015 19.7667 176.8463 2 C 4.1131 8.9355 121.0243 60.5774 28.6686 172.0848 3 G 4.1064 7.8413 106.5349 44.0332 0.0000 172.5791 4 L 4.0864 8.4745 120.7615 55.9457 42.8692 176.1651 5 V 4.7902 8.4788 124.9821 60.9669 34.0515 174.1609 6 A 4.9392 9.4188 130.3260 50.0979 21.7408 174.9716 7 S 5.7155 8.3104 115.5366 55.2343 66.9132 172.8279 8 N 4.2660 8.9161 113.5853 54.1700 35.8517 176.2745 9 L 3.9400 8.2425 119.3437 56.6976 41.9565 177.6752 10 N 4.0397 8.0443 114.0638 54.1876 37.3288 174.0031 11 L 4.3498 8.0607 119.6528 54.4465 42.2228 176.2108 12 K 4.8295 9.1573 126.7141 54.3637 33.4402 174.9704 13 P 3.6803 0.0000 0.0000 63.8271 31.5152 177.5861 14 G 3.9599 8.4075 109.9193 45.7464 0.0000 174.1207 15 E 4.3535 7.4805 120.4007 55.5220 31.3342 174.1769 *17 L 4.4564 8.2666 122.1694 56.0473 43.2120 177.5128 18 R 4.7329 8.7283 125.8481 54.4020 32.6618 175.1195 19 V 4.6123 8.7232 124.2775 60.9220 34.4777 174.0463 20 R 5.1360 8.5587 127.5889 54.7134 33.0917 174.3213 21 G 3.5265 8.7640 111.5462 45.2132 0.0000 171.2009 22 E 4.8010 8.3476 120.3072 54.8075 31.0984 176.0323 23 V 4.3174 8.6025 125.8759 61.9951 32.3815 175.7877 24 A 4.1057 8.5181 129.9630 51.6627 18.9277 176.7892 25 P 4.3063 0.0000 0.0000 64.7176 31.6014 177.0784 26 D 4.8518 7.6668 116.7178 52.1561 39.8214 176.0142 27 A 4.1374 7.8728 122.1382 54.0648 18.9569 178.1251 28 K 4.6273 9.2124 121.8685 57.8718 34.4283 176.5728 29 S 5.4074 7.9706 111.7772 58.1584 65.6923 175.1737 30 F 5.5537 8.0745 115.1459 55.6944 42.2120 173.2772 31 V 4.5052 9.3219 118.3611 61.2118 35.0238 173.5946 32 L 5.2277 9.1016 128.0219 53.1221 44.2351 174.9618 33 N 5.6004 9.3855 121.9470 51.4925 41.4706 173.8638 34 L 5.0910 9.7618 123.0973 51.6142 45.8052 176.5561 35 G 4.2332 8.3086 111.1444 46.8976 0.0000 174.8364 36 K 4.0980 9.2261 123.5155 57.8418 33.1740 175.4700 37 D 3.5536 7.0544 115.6242 52.2289 41.3953 175.6213 38 S 3.9740 7.8818 112.8280 60.9122 63.0198 174.7140 39 N 4.4443 8.3469 117.6563 53.5195 39.3129 173.6525 40 N 5.2177 7.9427 115.4149 51.0443 41.0120 172.2966 41 L 5.2664 8.8110 123.8723 52.8749 43.9915 177.2589 42 C 4.4762 8.9509 119.2200 60.1105 30.9519 173.8478 43 L 4.5926 7.8318 122.1324 54.0997 45.4187 173.5157 44 H 5.4440 9.4858 127.2983 53.8655 31.9592 172.4904 45 F 4.6363 9.3148 130.3143 56.6963 41.0797 173.8788 46 N 4.8225 8.0292 125.3087 49.3939 39.6140 169.6018 47 P 4.3899 0.0000 0.0000 61.8554 32.9608 175.0094 48 R 4.5094 9.1670 125.1243 54.7179 31.5789 177.1295 49 F 3.8331 9.0694 123.5280 60.0448 39.9640 175.7598 50 N 5.3869 8.7282 122.6066 52.8949 40.4431 172.6644 51 A 4.4366 9.1550 125.9782 52.4145 22.6164 175.9337 52 H 4.2635 9.8136 116.7363 56.7021 26.5274 175.1459 53 G 4.1932 8.4950 108.8406 45.7561 0.0000 175.0371 54 D 4.4256 7.6770 118.0833 53.8985 41.4405 175.1458 55 A 4.8431 7.8893 123.8958 51.8948 22.2557 176.2738 56 N 3.1400 8.0344 120.3061 53.8136 36.6547 174.5237 57 T 4.6106 7.3521 113.9664 61.7616 73.8049 175.0096 58 I 4.1812 8.3679 126.2668 60.2288 39.0735 174.5843 59 V 4.6511 8.1809 127.5939 61.2244 33.5999 174.0591 60 C 5.6670 9.0048 125.4161 57.4516 31.5695 172.6362 61 N 5.4166 8.1472 119.5877 53.0547 42.7983 172.1410 62 S 5.4616 8.9952 114.0267 56.4394 67.4245 172.7349 63 K 4.9092 8.9354 120.3820 54.8272 35.4678 174.1419 64 D 4.8132 9.1415 127.2902 52.6744 44.1271 175.8263 65 G 4.0296 10.3724 116.8003 46.4353 0.0000 173.9452 66 G 3.6964 8.1943 108.0082 44.3748 0.0000 173.9020 67 A 4.4925 7.6403 123.6787 49.8053 20.2610 176.3675 68 W 4.8684 8.6189 123.5561 57.5549 29.8155 176.9712 69 G 4.1787 9.1975 111.9524 45.6823 0.0000 172.6578 70 T 4.2481 8.4771 117.0219 63.5351 68.8695 174.4512 71 E 4.4960 8.8305 127.6855 56.1467 30.9248 175.5922 72 Q 4.7792 9.3276 124.4615 54.1891 32.7963 174.3779 73 R 5.0130 8.5552 121.3576 54.5481 32.5007 175.7274 74 E 4.3681 8.5806 122.6551 55.5836 30.6404 176.2557 75 A 4.3651 8.4691 122.4485 52.5172 20.1317 177.7217 76 V 4.3172 7.2650 108.3114 59.8095 33.6318 176.0359 77 F 4.6745 8.1044 123.9231 56.1734 39.3290 172.1456 78 P 4.6246 0.0000 0.0000 62.6426 32.2053 176.7758 79 F 5.0877 7.4721 116.4254 56.6857 41.8215 175.0338 80 Q 4.9779 8.6484 121.0793 53.5421 31.3217 173.2042 81 P 4.2291 0.0000 0.0000 63.9492 31.8805 176.5434 82 G 3.8913 8.5343 109.2258 45.7615 0.0000 172.8896 83 S 4.8355 7.5049 113.3639 56.1274 67.1611 172.6992 84 V 4.6332 8.3428 119.7305 61.8680 32.3998 174.8242 85 A 4.9939 9.2482 128.8700 50.1543 22.6997 174.0759 86 E 5.3411 9.0336 121.4625 54.6355 32.4047 175.3221 87 V 4.9241 8.4109 124.9718 59.0198 35.4353 173.5882 *89 I 4.2844 8.2118 119.5100 61.9489 38.0840 175.3081 90 T 5.1478 8.8713 120.2837 59.2565 71.4204 172.2424 91 F 5.5313 8.6216 118.8858 55.6041 40.6436 173.1086 92 D 4.8805 8.8897 119.1862 51.3662 42.2059 175.9544 93 Q 4.2086 8.6819 118.4500 58.9431 29.4116 177.0779 94 A 4.5289 7.9122 119.2676 53.5097 20.5869 177.0577 95 N 5.4827 9.1567 111.1553 51.8168 43.7324 173.8528 96 L 5.1635 9.2957 121.1445 53.7906 44.4953 175.6919 97 T 4.7562 9.0769 119.6714 61.8070 71.2866 173.2956 98 V 4.0114 8.0408 127.3685 60.9058 33.1492 174.1759 99 K 4.7150 8.2929 129.9655 55.1086 33.8533 175.6518 100 L 4.6329 9.1237 128.0851 52.3921 44.3134 174.5401 101 P 4.4680 0.0000 0.0000 63.6341 32.0968 175.8567 102 D 4.3589 9.5880 116.2634 55.3946 38.1573 176.1819 103 G 4.0846 7.7748 108.3544 45.4689 0.0000 174.2020 104 Y 4.3861 7.4220 120.6836 57.6776 40.0162 174.2811 105 E 4.9573 7.2483 125.9355 54.3381 32.7604 174.2298 106 F 5.0391 8.4514 120.4361 55.2454 41.9639 173.3911 107 K 5.0964 8.9027 118.8442 54.9256 34.4934 175.5410 108 F 5.1341 9.1559 125.6954 55.4451 42.6097 172.3428 109 P 4.7166 0.0000 0.0000 63.0009 31.9117 175.6402 110 N 4.7216 8.8048 123.1445 53.1722 38.4659 174.8188 111 R 4.3082 8.7542 124.6473 56.2933 30.8730 176.4221 112 L 4.6795 7.5374 117.6701 53.2438 44.2887 176.6939 113 N 4.7642 8.3194 119.1040 51.9160 37.3702 172.3960 114 L 4.7563 7.6165 118.8035 52.4553 44.1471 176.7045 115 E 4.1687 9.1324 123.6871 58.8681 29.7408 177.0662 116 A 5.1632 7.6084 118.0838 50.4071 22.5455 174.9305 117 I 4.1881 8.5451 121.5402 60.6587 38.2338 176.2160 118 N 5.1023 9.0885 123.6977 53.1620 40.7532 173.7538 119 Y 5.2847 7.8023 120.3207 56.0576 42.6884 173.3245 120 M 5.1562 8.8525 125.4435 53.7684 36.1985 173.4364 121 A 5.0850 8.8204 126.5989 50.0711 22.5552 174.5780 122 A 5.3267 8.7936 123.7719 50.8031 21.6582 175.4809 123 D 4.4287 9.1992 117.8318 54.6021 45.1440 175.9914 124 G 4.0448 8.9687 108.6139 45.4456 0.0000 173.7498 125 D 4.8939 8.7921 115.5414 54.0083 40.1019 176.8565 126 F 5.0458 7.9296 119.2705 56.2965 42.9091 173.9915 127 K 4.3434 8.1738 127.6633 54.2725 34.1164 175.1432 128 I 3.9236 8.2005 129.2254 61.6102 37.0986 176.2956 129 K 4.1592 8.9620 126.1498 56.9116 33.2374 176.8086 *131 V 3.9890 7.6476 119.3310 62.6237 32.2583 174.2769 132 A 4.4087 8.6965 128.3646 50.2239 23.1881 174.8931 133 F 4.7423 8.5836 118.3762 56.2757 40.2317 175.6366 134 D 4.8704 8.6198 122.2512 54.5574 40.2791 174.5820 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.57 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.94 4.11 0.00 3.01 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 7.84 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.47 4.09 0.00 1.79 1.60 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.48 4.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 6 A 9.42 4.94 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.31 5.72 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.92 4.27 0.00 2.89 2.93 0.00 0.00 6.92 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.24 3.94 0.00 1.86 1.79 1.04 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.04 4.04 0.00 2.77 2.79 0.00 0.00 6.92 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.06 4.35 0.00 1.90 1.77 1.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.16 4.83 0.00 1.86 1.70 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.60 7.81 13 P 0.00 3.68 0.00 1.78 1.48 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.49 0.00 14 G 8.41 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.48 4.35 0.00 2.36 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 *17 L 8.27 4.46 0.00 1.73 1.74 0.71 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.73 4.73 0.00 1.66 1.75 0.00 3.15 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 19 V 8.72 4.61 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.91 0.00 0.00 20 R 8.56 5.14 0.00 1.89 1.68 0.00 3.21 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 21 G 8.76 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.35 4.80 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 23 V 8.60 4.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.11 0.00 0.00 24 A 8.52 4.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.31 0.00 2.02 2.10 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 26 D 7.67 4.85 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.87 4.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.21 4.63 0.00 1.75 2.05 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.38 7.81 29 S 7.97 5.41 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.07 5.55 0.00 3.31 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.32 4.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.91 0.00 0.00 32 L 9.10 5.23 0.00 1.72 1.58 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.39 5.60 0.00 2.68 2.89 0.00 0.00 6.33 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 9.76 5.09 0.00 1.49 1.46 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.31 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 9.23 4.10 0.00 1.66 1.77 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.34 7.81 37 D 7.05 3.55 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.88 3.97 0.00 3.95 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.35 4.44 0.00 2.79 2.75 0.00 0.00 6.59 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.94 5.22 0.00 2.52 2.66 0.00 0.00 6.63 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.81 5.27 0.00 1.61 1.74 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.95 4.48 0.00 3.06 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.83 4.59 0.00 1.81 1.52 0.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.49 5.44 0.00 3.58 3.55 0.00 5.85 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.31 4.64 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.03 4.82 0.00 2.37 2.48 0.00 0.00 7.07 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.39 0.00 1.12 1.18 0.00 2.34 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.71 0.00 48 R 9.17 4.51 0.00 1.67 1.77 0.00 3.09 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 49 F 9.07 3.83 0.00 3.27 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.73 5.39 0.00 2.67 2.72 0.00 0.00 7.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 9.16 4.44 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 9.81 4.26 0.00 3.20 3.33 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.49 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.68 4.43 0.00 2.76 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.89 4.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.03 3.14 0.00 2.41 2.07 0.00 0.00 6.80 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.35 4.61 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 58 I 8.37 4.18 1.77 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.08 0.61 0.00 0.00 59 V 8.18 4.65 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.78 0.00 0.00 60 C 9.00 5.67 0.00 2.69 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.15 5.42 0.00 2.64 2.73 0.00 0.00 6.67 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 9.00 5.46 0.00 4.17 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.94 4.91 0.00 1.29 1.38 0.00 0.84 0.00 0.00 1.14 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.52 7.81 64 D 9.14 4.81 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 10.37 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.19 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.64 4.49 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.62 4.87 0.00 3.21 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.20 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.48 4.25 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 71 E 8.83 4.50 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 72 Q 9.33 4.78 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 73 R 8.56 5.01 0.00 1.60 1.73 0.00 3.14 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 74 E 8.58 4.37 0.00 1.64 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 75 A 8.47 4.37 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.26 4.32 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.69 0.00 0.00 77 F 8.10 4.67 0.00 2.94 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.62 0.00 1.90 1.95 0.00 3.28 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.80 0.00 79 F 7.47 5.09 0.00 2.34 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.65 4.98 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 81 P 0.00 4.23 0.00 2.04 1.80 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.63 0.00 82 G 8.53 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.50 4.84 0.00 3.96 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.34 4.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 85 A 9.25 4.99 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 9.03 5.34 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 87 V 8.41 4.92 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.74 0.00 0.00 *89 I 8.21 4.28 1.81 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.17 0.87 0.00 0.00 90 T 8.87 5.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 91 F 8.62 5.53 0.00 3.24 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.89 4.88 0.00 2.74 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.68 4.21 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 94 A 7.91 4.53 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.16 5.48 0.00 2.59 2.70 0.00 0.00 6.94 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 9.30 5.16 0.00 1.75 1.63 1.15 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 97 T 9.08 4.76 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 98 V 8.04 4.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.50 0.00 0.00 99 K 8.29 4.72 0.00 1.76 1.57 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 100 L 9.12 4.63 0.00 1.76 1.48 1.40 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.47 0.00 1.88 1.96 0.00 3.41 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.29 0.00 102 D 9.59 4.36 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.77 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 7.42 4.39 0.00 3.19 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.25 4.96 0.00 1.76 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 106 F 8.45 5.04 0.00 3.12 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.90 5.10 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 108 F 9.16 5.13 0.00 3.38 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.72 0.00 1.91 1.89 0.00 2.52 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.63 0.00 110 N 8.80 4.72 0.00 2.87 3.00 0.00 0.00 7.19 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.75 4.31 0.00 1.90 1.98 0.00 3.32 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 112 L 7.54 4.68 0.00 1.63 1.61 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.32 4.76 0.00 2.66 2.75 0.00 0.00 6.83 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.62 4.76 0.00 1.72 1.61 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 115 E 9.13 4.17 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 116 A 7.61 5.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.55 4.19 1.71 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 -0.33 0.86 0.00 0.00 118 N 9.09 5.10 0.00 2.72 2.86 0.00 0.00 5.93 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.80 5.28 0.00 3.11 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 M 8.85 5.16 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 121 A 8.82 5.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.79 5.33 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 9.20 4.43 0.00 2.90 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.79 4.89 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 7.93 5.05 0.00 2.27 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.17 4.34 0.00 1.76 1.42 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.26 7.81 128 I 8.20 3.92 1.80 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.86 0.00 0.00 129 K 8.96 4.16 0.00 1.57 1.76 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.21 1.40 7.81 *131 V 7.65 3.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.88 0.00 0.00 132 A 8.70 4.41 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.58 4.74 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.62 4.87 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.